- InChI
- InChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-16(17)19-14-13-15(2)18-3/h15H,4-14H2,1-3H3
- InChI Key
- OZVNZRAZEMUUFA-UHFFFAOYSA-N
- Formula
- C16H32O3
- SMILES
- CCCCCCCCCCC(=O)OCCC(C)OC
- Molecular Weight1
- 272.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8220 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.485 | Crippen Calculated Property | |
| McVol | 249.610 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | 1823.00 | NIST | |
| Tboil | 569.70 | K | Relay (1.0) Calculated Property |
| Tc | 738.15 | K | Relay (1.0) Calculated Property |
| Tfus | 254.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.13; 803.19] | J/mol×K | [663.75; 833.87] | 
|
| Cp,gas | 707.13 | J/mol×K | 663.75 | Joback Calculated Property |
| Cp,gas | 725.06 | J/mol×K | 692.10 | Joback Calculated Property |
| Cp,gas | 742.21 | J/mol×K | 720.46 | Joback Calculated Property |
| Cp,gas | 758.59 | J/mol×K | 748.81 | Joback Calculated Property |
| Cp,gas | 774.21 | J/mol×K | 777.17 | Joback Calculated Property |
| Cp,gas | 789.07 | J/mol×K | 805.52 | Joback Calculated Property |
| Cp,gas | 803.19 | J/mol×K | 833.87 | Joback Calculated Property |
| η | [0.0000876; 0.0021019] | Pa×s | [349.47; 663.75] |
|
| η | 0.0021019 | Pa×s | 349.47 | Joback Calculated Property |
| η | 0.0008764 | Pa×s | 401.85 | Joback Calculated Property |
| η | 0.0004471 | Pa×s | 454.23 | Joback Calculated Property |
| η | 0.0002622 | Pa×s | 506.61 | Joback Calculated Property |
| η | 0.0001699 | Pa×s | 558.99 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 611.37 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 663.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl undecanoate.
Sources
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